Home Sulfos 2-bromo-1-(3-methanesulfonylphenyl)ethan-1-one

2-bromo-1-(3-methanesulfonylphenyl)ethan-1-one

CAS No.:
443915-58-0
Catalog Number:
AG01B9KB
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
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Product Description
Catalog Number:
AG01B9KB
Chemical Name:
2-bromo-1-(3-methanesulfonylphenyl)ethan-1-one
CAS Number:
443915-58-0
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
MDL Number:
MFCD23845063
IUPAC Name:
2-bromo-1-(3-methylsulfonylphenyl)ethanone
InChI:
InChI=1S/C9H9BrO3S/c1-14(12,13)8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
InChI Key:
FASDZVWZMAQOAW-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.946g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.132g/mol
Monoisotopic Mass:
275.946g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties